|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H13Cl4N3/c21-16-3-1-12(7-18(16)23)14-9-26-10-15(14)20(27-6-5-25-11-27)13-2-4-17(22)19(24)8-13/h1-11,20,26H
|
|
chemicalCompound:standardIn... |
KEGZFTOUDFMRBB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1Cl)C(c2c[nH]cc2c3ccc(Cl)c(Cl)c3)n4ccnc4
|
|
chemicalCompound:molecularF... |
C20 H13 Cl4 N3
|
|
chemicalCompound:moleculeId |
222488
|
|
chemicalCompound:mwFreebase |
437.149
|
|
chemicalCompound:alogp |
6.388
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.61
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
7.259
|
|
chemicalCompound:acdLogD |
7.231
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
437.149
|
|
chemicalCompound:acdMostBpk... |
6.176
|
|
chemicalCompound:chemblId |
CHEMBL134822
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
activity:1254023,
activity:1254024,
activity:1254025,
activity:1254026,
activity:1254027,
activity:1254028,
activity:1254029,
activity:1254030,
activity:1254031,
activity:1254032,
activity:1254033,
activity:1254034,
activity:1254035,
activity:1254036,
activity:1254037,
activity:1254038
|
